2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide

C25H31N3O2S — CID 67346202

IUPAC2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide
SMILESCN1/C(=N/C2CCCCCC2)SCC1CC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H31N3O2S/c1-28-21(18-31-25(28)27-19-9-5-2-3-6-10-19)17-24(29)26-20-13-15-23(16-14-20)30-22-11-7-4-8-12-22/h4,7-8,11-16,19,21H,2-3,5-6,9-10,17-18H2,1H3,(H,26,29)/b27-25-
InChIKeyRJOMZSVFVQNVMJ-RFBIWTDZSA-N
MW437.61 g/mol
LogP5.93
Rot. Bonds6

About 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide

2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide (PubChem CID 67346202) has the molecular formula C25H31N3O2S and a molecular weight of 437.61 g/mol. Its IUPAC name is 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide
PubChem CID67346202
Molecular FormulaC25H31N3O2S
Molecular Weight437.61 g/mol
Exact Mass437.21
IUPAC Name2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide
SMILESCN1/C(=N/C2CCCCCC2)SCC1CC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H31N3O2S/c1-28-21(18-31-25(28)27-19-9-5-2-3-6-10-19)17-24(29)26-20-13-15-23(16-14-20)30-22-11-7-4-8-12-22/h4,7-8,11-16,19,21H,2-3,5-6,9-10,17-18H2,1H3,(H,26,29)/b27-25-
InChIKeyRJOMZSVFVQNVMJ-RFBIWTDZSA-N
XLogP5.93
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.61
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide;hydrochloride
CID 67351067
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
CID 67348533
N-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67348468
2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide
CID 67347610
2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide
CID 67347875
2-cycloheptylimino-3-methyl-N-(4-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 140532175
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 67351201
2-[2-(1-adamantylimino)-3-methyl-1,3-thiazolidin-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 67349215
N-(4-butylphenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67350989
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,4-dichlorophenyl)acetamide
CID 67347825
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 67346873
2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 67347315

Frequently Asked Questions

What is the IUPAC name of 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide (CID 67346202) is 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide is CN1/C(=N/C2CCCCCC2)SCC1CC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide?
The InChIKey is RJOMZSVFVQNVMJ-RFBIWTDZSA-N. The full InChI is InChI=1S/C25H31N3O2S/c1-28-21(18-31-25(28)27-19-9-5-2-3-6-10-19)17-24(29)26-20-13-15-23(16-14-20)30-22-11-7-4-8-12-22/h4,7-8,11-16,19,21H,2-3,5-6,9-10,17-18H2,1H3,(H,26,29)/b27-25-.
What are the key properties of 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide?
2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide has a molecular weight of 437.61 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 67346202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).